CID 159322

2-methoxyethyl nonanoate

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCCCCCCC(=O)OCCOC
InChI
InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-12(13)15-11-10-14-2/h3-11H2,1-2H3
InChIKey
SWYNLZZOIDBOEM-UHFFFAOYSA-N
Compound name
2-methoxyethyl nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.17255 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 153.2
[M+Na]+ 239.16177 161.9
[M+NH4]+ 234.20637 159.5
[M+K]+ 255.13571 155.8
[M-H]- 215.16527 151.6
[M+Na-2H]- 237.14722 154.9
[M]+ 216.17200 153.7
[M]- 216.17310 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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